SCHEMBL4096883

SCHEMBL4096883

CCOP(=O)(CCn1cnc2c(N)nc(OCCOC)nc21)OCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.41
TLR7 Q9NYK1 5/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
NUDT1 P36639 1/20 0.38
SLC22A6 Q4U2R8 2/20 0.37
FGFR1 P11362 2/20 0.37
ADORA2A P29274 4/20 0.36
ADORA2B P29275 3/20 0.36
ADORA1 P30542 2/20 0.36
ABCB11 O95342 1/20 0.36
POLA1 P09884 1/20 0.36
POLG P54098 1/20 0.36
FAP Q12884 1/20 0.36
HPRT1 P00492 1/20 0.36
TMIGD3 P0DMS9 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3924378 0.94 PNP (0.44) PNPTLR7CDK1CCNB1CCNE1
SCHEMBL13729255 0.89 TLR7 (0.41) PNPTLR7CDK1CCNB1CCNE1
SCHEMBL161753 0.83 TLR7 (0.46) PNPTLR7NUDT1
SCHEMBL3996481 0.82 FAP (0.49) FAP
SCHEMBL4095244 0.80 SLC22A6 (0.38) TLR7SLC22A6FGFR1ADORA2AADORA2B
SCHEMBL4096891 0.80 HPRT1 (0.41) PNPTLR7SLC22A6FGFR1ADORA2A
SCHEMBL3930476 0.80 TLR7 (0.44) TLR7NUDT1ADORA2AADORA2BADORA1
SCHEMBL19633363 0.79 TLR7 (0.44) TLR7CDK1CCNB1CCNE1CDK2
SCHEMBL4104439 0.77 TLR7 (0.41) TLR7NUDT1ADORA2AADORA1FAP
SCHEMBL4007149 0.77 FGFR1 (0.46) TLR7NUDT1SLC22A6FGFR1ABCB11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038290-B1 MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES INC (US) 2013-09-04 EP disclosed
US-8338593-B2 Agonists; Treatment of Hepatitis C virus; phosphinate-substituted purine derivatives GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090202484-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES, INC. (US) 2009-08-13 US disclosed
US-20080008682-A1 Modulators of toll-like receptor 7 GILEAD SCIENCES, INC. 2008-01-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080008682-A1 Modulators of toll-like receptor 7 TLR7, TLR6, TLR3 PNP 3785/4885TLR7 1/4885CDK1 4564/4885
US-20090202484-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 PNP 3624/4885TLR7 1/4885CDK1 4612/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.